2-methyl-5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

C11H17NOS — CID 129296482

IUPAC2-methyl-5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCc1nc2c(s1)CCC(C(C)C)C2O
InChIInChI=1S/C11H17NOS/c1-6(2)8-4-5-9-10(11(8)13)12-7(3)14-9/h6,8,11,13H,4-5H2,1-3H3
InChIKeyCXEJVCFXNYSNIR-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.70
Rot. Bonds1

About 2-methyl-5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

2-methyl-5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 129296482) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID129296482
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-methyl-5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCc1nc2c(s1)CCC(C(C)C)C2O
InChIInChI=1S/C11H17NOS/c1-6(2)8-4-5-9-10(11(8)13)12-7(3)14-9/h6,8,11,13H,4-5H2,1-3H3
InChIKeyCXEJVCFXNYSNIR-UHFFFAOYSA-N
XLogP2.70
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 2-methyl-5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 129296482) is 2-methyl-5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-methyl-5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-methyl-5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is Cc1nc2c(s1)CCC(C(C)C)C2O.
What is the InChIKey of 2-methyl-5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is CXEJVCFXNYSNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-6(2)8-4-5-9-10(11(8)13)12-7(3)14-9/h6,8,11,13H,4-5H2,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
2-methyl-5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 211.33 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 129296482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).